N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C10H13N3O2 — CID 79026402

IUPACN-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)C#N)o1
InChIInChI=1S/C10H13N3O2/c1-6(4-11)5-12-10(14)9-7(2)13-8(3)15-9/h6H,5H2,1-3H3,(H,12,14)
InChIKeyXJOMPSSDDMWUTA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.18
Rot. Bonds3

About N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 79026402) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID79026402
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)C#N)o1
InChIInChI=1S/C10H13N3O2/c1-6(4-11)5-12-10(14)9-7(2)13-8(3)15-9/h6H,5H2,1-3H3,(H,12,14)
InChIKeyXJOMPSSDDMWUTA-UHFFFAOYSA-N
XLogP1.18
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676
N-(2-bromo-4,4-dimethylpentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107156647
N-(2-amino-2-cyclopropylethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 115301105
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62651855

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 79026402) is N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(C)C#N)o1.
What is the InChIKey of N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is XJOMPSSDDMWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(4-11)5-12-10(14)9-7(2)13-8(3)15-9/h6H,5H2,1-3H3,(H,12,14).
What are the key properties of N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79026402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).